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6YH5
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BU of 6yh5 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YHA
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Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
分子名称: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH9
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BU of 6yh9 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YHB
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BU of 6yhb by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH4
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BU of 6yh4 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
分子名称: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH6
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BU of 6yh6 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
分子名称: 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YHC
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BU of 6yhc by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH8
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Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
分子名称: 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
2M0O
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BU of 2m0o by Molmil
The solution structure of human PHF1 in complex with H3K36me3
分子名称: H3K36me3 peptide, PHD finger protein 1
著者Song, J, Patel, D.J.
登録日2012-10-30
公開日2013-01-16
最終更新日2013-02-27
実験手法SOLUTION NMR
主引用文献An H3K36 Methylation-Engaging Tudor Motif of Polycomb-like Proteins Mediates PRC2 Complex Targeting.
Mol.Cell, 49, 2013
4JOL
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BU of 4jol by Molmil
Complex structure of AML1-ETO NHR2 domain with HEB fragment
分子名称: Protein CBFA2T1, Transcription factor 12
著者Wang, Z, Patel, D.J.
登録日2013-03-18
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献A stable transcription factor complex nucleated by oligomeric AML1-ETO controls leukaemogenesis.
Nature, 500, 2013
3TPR
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BU of 3tpr by Molmil
Crystal structure of BACE1 complexed with an inhibitor
分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPL
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BU of 3tpl by Molmil
APO Structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPP
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BU of 3tpp by Molmil
Crystal structure of BACE1 complexed with an inhibitor
分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ...
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
分子名称: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
著者Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
登録日2011-09-08
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
8H89
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BU of 8h89 by Molmil
Capsid of Ralstonia phage GP4
分子名称: Major capsid protein, Virion associated protein
著者Liu, H.R, Chen, W.Y.
登録日2022-10-22
公開日2022-11-16
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A Capsid Structure of Ralstonia solanacearum podoviridae GP4 with a Triangulation Number T = 9.
Viruses, 14, 2022
6DRD
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BU of 6drd by Molmil
RNA Pol II(G)
分子名称: DNA-directed RNA polymerase II subunit GRINL1A, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者Yu, X, Jishage, M, Shi, Y, Ganesan, S, Sali, A, Chait, B.T, Asturias, F, Roeder, R.G.
登録日2018-06-11
公開日2019-06-12
最終更新日2019-12-04
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Architecture of Pol II(G) and molecular mechanism of transcription regulation by Gdown1.
Nat. Struct. Mol. Biol., 25, 2018
7EY9
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BU of 7ey9 by Molmil
tail proteins
分子名称: Tail fiber protein, Tail tubular protein gp11, Tail tubular protein gp12
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY7
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BU of 7ey7 by Molmil
bacteriophage T7 tail complex
分子名称: Internal virion protein gp14, Tail fiber protein, Tail tubular protein gp11, ...
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY6
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The portal protein (GP8) of bacteriophage T7
分子名称: Portal protein
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EY8
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portal
分子名称: Portal protein
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EYB
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BU of 7eyb by Molmil
core proteins
分子名称: Internal virion protein gp14, Internal virion protein gp15, Peptidoglycan transglycosylase gp16
著者Liu, H.R, Chen, W.Y.
登録日2021-05-30
公開日2021-09-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7F0U
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BU of 7f0u by Molmil
porcine epidemic diarrhea virus papain-like protease 2 C44S mutant in complex with mono ubiquitin
分子名称: Ubiquitin, ZINC ION, papain-like protease 2
著者Chu, H.F, Lin, T.H.
登録日2021-06-07
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Biochemical Characterization of Porcine Epidemic Diarrhea Virus Papain-Like Protease 2.
J.Virol., 96, 2022
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
分子名称: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
著者Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
登録日2012-06-05
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXP
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Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor
分子名称: 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013

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件を2024-08-28に公開中

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